5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
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Basic information
- CAS
1040682-76-5- Standard SMILES
CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(I)c(Cl)cnc21- InChIKey
HTFCCIPFRUUSTD-UHFFFAOYSA-N- Molecular formula
- C16H24ClIN2Si
- Average molar mass
- 434.82 g/mol
- Monoisotopic mass
- 434.0442
Names & identifiers
- Preferred name
- 5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- (5-chloro-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
- English name
- 5-CHLORO-4-IODO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE
- Molecular formula
- C16H24ClIN2Si
- Molecular weight
- 434.82
Names & synonyms
5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine1040682-76-5MFCD09965903(5-chloro-4-iodo-pyrrolo[2,3-b]pyridin-1-yl)-triisopropyl-silane(5-chloro-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silaneSCHEMBL4345235DTXSID30673807HTFCCIPFRUUSTD-UHFFFAOYSA-NAKOS015848314PS-18552SY461557DB-029447
Show more names
1H-Pyrrolo[2,3-b]pyridine, 5-chloro-4-iodo-1-[tris(1-methylethyl)silyl]-
E84156F8280775-Chloro-4-iodo-1-[tri(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine, AldrichCPR5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine, 1040682-76-5, AC1Q1NTN, SureCN4345235, CTK6H3656, AKOS015848314, AG-A-85010, AK-56400, KB-73455, A-5879, 5-chloro-4-iodo-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine
Database identifiers
- CAS
1040682-76-5- PubChem CID
- 46736364
- DTXSID
DTXSID30673807
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- form
- solid
- InChI
- 1S/C16H24ClIN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20/h7-12H,1-6H3
- InChIKey
- HTFCCIPFRUUSTD-UHFFFAOYSA-N
- SMILES
- CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(I)c(Cl)cnc12
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine is used as a reactant in the synthesis of tricyclic compounds as JAK3 inhibitors.
Related reactions
10 records
Compound notes
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